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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP011575

[(2R,3R,4R,5S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate

Formula: C34H28O20  |  Mol. Weight: 756.60 g/mol

IUPAC: [(2R,3R,4R,5S)-4-hydroxy-5-(4-hydroxybenzoyl)oxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate

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Overview

Molecular Formula C34H28O20
Molecular Weight 756.60 g/mol
Canonical SMILES C1=CC(=CC=C1C(=O)OC2C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)(COC(=O)C5=CC(=C(C(=C5)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy